4-chloranyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(phenylmethyl)pyrimidin-2-amine

Systemtic Name: 4-chloranyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(phenylmethyl)pyrimidin-2-amine Openeye Name: N-benzyl-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine CAS Name: 4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-N-(phenylmethyl)-2-pyrimidinamine IUPAC Name: N-benzyl-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine Traditional Name: benzyl-[4-chloro-6-(4-methylpiperazino)-5-(methylthio)pyrimidin-2-yl]amine Formula: C17H22ClN5S MolecularWeight: 363.90808

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)Cl)SC

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)Cl)SC

InChI

InChI=1S/C17H22ClN5S/c1-22-8-10-23(11-9-22)16-14(24-2)15(18)20-17(21-16)19-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,19,20,21)